2-[4-[5-(2,5-dihydro-1H-imidazol-4-yl)-1-benzothiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazole

C20H18N4S — CID 90655713

IUPAC2-[4-[5-(2,5-dihydro-1H-imidazol-4-yl)-1-benzothiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazole
SMILESc1cc2sc(-c3ccc(C4=NCCN4)cc3)cc2cc1C1=NCNC1
InChIInChI=1S/C20H18N4S/c1-3-14(20-22-7-8-23-20)4-2-13(1)19-10-16-9-15(5-6-18(16)25-19)17-11-21-12-24-17/h1-6,9-10,21H,7-8,11-12H2,(H,22,23)
InChIKeyYXZOWRQNBQAHED-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.27
Rot. Bonds3

About 2-[4-[5-(2,5-dihydro-1H-imidazol-4-yl)-1-benzothiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazole

2-[4-[5-(2,5-dihydro-1H-imidazol-4-yl)-1-benzothiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 90655713) has the molecular formula C20H18N4S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-[4-[5-(2,5-dihydro-1H-imidazol-4-yl)-1-benzothiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-[5-(2,5-dihydro-1H-imidazol-4-yl)-1-benzothiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID90655713
Molecular FormulaC20H18N4S
Molecular Weight346.46 g/mol
Exact Mass346.13
IUPAC Name2-[4-[5-(2,5-dihydro-1H-imidazol-4-yl)-1-benzothiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazole
SMILESc1cc2sc(-c3ccc(C4=NCCN4)cc3)cc2cc1C1=NCNC1
InChIInChI=1S/C20H18N4S/c1-3-14(20-22-7-8-23-20)4-2-13(1)19-10-16-9-15(5-6-18(16)25-19)17-11-21-12-24-17/h1-6,9-10,21H,7-8,11-12H2,(H,22,23)
InChIKeyYXZOWRQNBQAHED-UHFFFAOYSA-N
XLogP3.27
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Imidazole, 4,5-dihydro-2-(4-(6-(4,5-dihydro-1H-imidazol-2-yl)benzo(b)thien-2-yl)phenyl)-
CID 206023
1H-Imidazole, 4,5-dihydro-2-(4-(5-(4,5-dihydro-1H-imidazol-2-yl)benzo(b)thien-2-yl)phenyl)-
CID 439132
2-[8-(4,5-dihydro-1H-imidazol-2-yl)dibenzothiophen-2-yl]-4,5-dihydro-1H-imidazole
CID 464124
2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzothiophen-2-yl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole
CID 5478798
N-(1-dibenzothiophen-2-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 13012171
2-Imidazoline, 2-(4-dibenzothienylmethyl)-, monohydrochloride
CID 29789
4-[5-(4,5-dihydro-1H-imidazol-2-yl)benzothiophen-2-yl]benzamidine
CID 3010571
2-[4-[6-(1,4,5,6-Tetrahydropyrimidin-2-yl)-1-benzothiophen-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 45140007
2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 45262620
2-[4-[5-[4-(4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]thiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazol-3-ium dichloride
CID 90680394
5-methyl-2-[4-[5-[4-(5-methyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]thiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazol-3-ium dichloride
CID 90680396
2-[5-fluoro-2-(4-methylphenyl)-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole
CID 10286401

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(2,5-dihydro-1H-imidazol-4-yl)-1-benzothiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-[5-(2,5-dihydro-1H-imidazol-4-yl)-1-benzothiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazole (CID 90655713) is 2-[4-[5-(2,5-dihydro-1H-imidazol-4-yl)-1-benzothiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-[5-(2,5-dihydro-1H-imidazol-4-yl)-1-benzothiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-[5-(2,5-dihydro-1H-imidazol-4-yl)-1-benzothiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazole is c1cc2sc(-c3ccc(C4=NCCN4)cc3)cc2cc1C1=NCNC1.
What is the InChIKey of 2-[4-[5-(2,5-dihydro-1H-imidazol-4-yl)-1-benzothiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is YXZOWRQNBQAHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4S/c1-3-14(20-22-7-8-23-20)4-2-13(1)19-10-16-9-15(5-6-18(16)25-19)17-11-21-12-24-17/h1-6,9-10,21H,7-8,11-12H2,(H,22,23).
What are the key properties of 2-[4-[5-(2,5-dihydro-1H-imidazol-4-yl)-1-benzothiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazole?
2-[4-[5-(2,5-dihydro-1H-imidazol-4-yl)-1-benzothiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 346.46 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(2,5-dihydro-1H-imidazol-4-yl)-1-benzothiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 90655713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).